2-azanyloxy-2-oxidanylidene-ethanoic acid; 3-(1-benzothiophen-7-yloxy)-3-phenyl-propan-1-amine

Systemtic Name: 2-azanyloxy-2-oxidanylidene-ethanoic acid; 3-(1-benzothiophen-7-yloxy)-3-phenyl-propan-1-amine Openeye Name: 2-aminooxy-2-oxo-acetic acid; 3-(benzothiophen-7-yloxy)-3-phenyl-propan-1-amine CAS Name: 2-aminooxy-2-oxoacetic acid; 3-(1-benzothiophen-7-yloxy)-3-phenyl-1-propanamine IUPAC Name: 2-aminooxy-2-oxoacetic acid; 3-(1-benzothiophen-7-yloxy)-3-phenylpropan-1-amine Traditional Name: 2-aminooxy-2-keto-acetic acid; [3-(benzothiophen-7-yloxy)-3-phenyl-propyl]amine Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN)OC2=CC=CC3=C2SC=C3.C(=O)(C(=O)ON)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCN)OC2=CC=CC3=C2SC=C3.C(=O)(C(=O)ON)O

InChI

InChI=1S/C17H17NOS.C2H3NO4/c18-11-9-15(13-5-2-1-3-6-13)19-16-8-4-7-14-10-12-20-17(14)16;3-7-2(6)1(4)5/h1-8,10,12,15H,9,11,18H2;3H2,(H,4,5)